N-(3-Chloropropyl)phenothiazine - CAS 5909-59-1

Catalog:	BB069327
Product Name:	N-(3-Chloropropyl)phenothiazine
CAS:	5909-59-1
Synonyms:	10-(3-Chloropropyl)-10H-phenothiazine; 10-(3-Chloropropyl)phenothiazine

Technical Data

IUPAC Name:	10-(3-chloropropyl)phenothiazine
Description:	N-(3-Chloropropyl)phenothiazine is a useful reagent in synthesis of phenothiazine derivatives. It is an intermediate in the synthesis of Promazine Dimer Hydrochloride (P756305), which is an impurity of Promazine(P756300). Promazine is an antipsychotic and a tranquilizer.
Molecular Weight:	275.8
Molecular Formula:	C15H14ClNS
Canonical SMILES:	C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCl
InChI:	InChI=1S/C15H14ClNS/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2
InChI Key:	DLCIJMPSJTVVHJ-UHFFFAOYSA-N
References:	Gao, Y., et al. Eur. J. Med. Chem., 183, 111692 (2010); Banci, L., et al. Biochemistry, 38, 3205 (1999), Lawal, O., et al. Food Chemi., 87, 205 (2004), Shleev, S., et al. Bioorg. Chem., 35, 35 (2007),.

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.0535483
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.0535483
Rotatable Bond Count:	3
Topological Polar Surface Area:	28.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1